Version2.0 2019-11-13T00:06:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3Cc4nc(no4)c5cccc(c5)C(F)(F)F C24954478 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3Cc4nc(no4)c5cccc(c5)C(F)(F)F C01[X(C25H24F3N6O2)] 174 C1 588 Cc1nn(c(c1[C@@H]1C(=O)NCC[NH+]1Cc1onc(n1)c1cccc(c1)C(F)(F)F)C)c1ccccc1 Cc1nn(c(c1[C@@H]1C(=O)NCC[NH+]1Cc1onc(n1)c1cccc(c1)C(F)(F)F)C)c1ccccc1 Cc1nn(c(C)c1[C@H]2[NH+](CCNC2=O)Cc3onc(n3)c4cccc(c4)C(F)(F)F)c5ccccc5 InChIKey=YRPHHCORNWQFFA-JOCHJYFZSA-O InChI=1S/C25H23F3N6O2/c1-15-21(16(2)34(31-15)19-9-4-3-5-10-19)22-24(35)29-11-12-33(22)14-20-30-23(32-36-20)17-7-6-8-18(13-17)25(26,27)28/h3-10,13,22H,11-12,14H2,1-2H3,(H,29,35)/p+1/t22-/m1/s1 InChI=1/C25H23F3N6O2/c1-15-21(16(2)34(31-15)19-9-4-3-5-10-19)22-24(35)29-11-12-33(22)14-20-30-23(32-36-20)17-7-6-8-18(13-17)25(26,27)28/h3-10,13,22H,11-12,14H2,1-2H3,(H,29,35)/p+1/t22-/m1/s1/fC25H24F3N6O2/h29,33H/q+1 Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3Cc4nc(no4)c5cccc(c5)C(F)(F)F C01[X(C25H24F3N6O2)] 174 C01 588 Cc1nn(c(c1[C@@H]1C(=O)NCC[NH+]1Cc1onc(n1)c1cccc(c1)C(F)(F)F)C)c1ccccc1 O=C1NCC[NH]([C@@H]1c1c(C)nn(c1C)c1ccccc1)CC1=N[C@@H](NO1)c1cccc(c1)C(F)(F)F Cc1nn(c(C)c1[C@H]2[NH](CCNC2=O)CC3=N[C@@H](NO3)c4cccc(c4)C(F)(F)F)c5ccccc5 InChIKey=ULVWYNDDNNTGOP-PKTZIBPZSA-N InChI=1S/C25H26F3N6O2/c1-15-21(16(2)34(31-15)19-9-4-3-5-10-19)22-24(35)29-11-12-33(22)14-20-30-23(32-36-20)17-7-6-8-18(13-17)25(26,27)28/h3-10,13,22-23,32-33H,11-12,14H2,1-2H3,(H,29,35)/t22-,23+/m1/s1 InChI=1/C25H26F3N6O2/c1-15-21(16(2)34(31-15)19-9-4-3-5-10-19)22-24(35)29-11-12-33(22)14-20-30-23(32-36-20)17-7-6-8-18(13-17)25(26,27)28/h3-10,13,22-23,32-33H,11-12,14H2,1-2H3,(H,29,35)/t22-,23+/m1/s1/f/h29H 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7.3466 7.3585 7.4029 7.4586 7.4500 7.5049 7.5191 7.5506 8.7137 9.3536 0.1240 0.9010 0.6082 1.0549 2.2271 1.1760 3.0634 2.4183 2.2954 0.7759 0.5430 0.8216 2.8849 3.8634 1.5246 1.8884 0.5458 1.5444 0.8373 4.2103 1.4983 0.5179 0.9272 0.9385 1.4937 2.2600 1.9779 1.2602 0.1263 2.3376 0.9843 2.5579 5.5035 6.4842 2.0141 3.7338 0.0692 3.8749 3.0608 7.1693 1.0815 24.3251 12.3995 6.3203 0.8288 29.8576 14.1354 0.6506 24.2952 0.1469 1.6456 31.5474 11.0793 26.0635 1.4186 39.2433 14.0506 30.7210 28.6490 38.2159 11.9706 18.3239 3.6204 70.3342 9.9157 15.1247 33.1724 9.8756 107.4056 0.2729 24.6830 8.3184 16.1049 4.7396 57.6670 11.5846 22.2872 0.8058 3.0995 8.4904 17.9236 27.9464 0.1449 27.9200 0.0673 26.2012 4.5291 0.0494 19.3339 10.9973 0.1042 4.2046 30.1512 1.4108 41.3108 32.9874 34.1562 4.4959 0.9075 4.3137 18.1907 1.6085 1.1323 3.9659 13.5954 2.2863 18.8422 302.0260 13.6667 156.3655 10.7636 23.6332 317.8516 50.1987 121.3718 19.9768 15.7472 284.3871 79.8120 57.3118 74.8083 21.9677 44.9674 12.6895 17.8901 5.2792 104.8191 105.7708 23.0443 11.4387 11.8362 3.3587 19.2700 4.8251 11.7857 29.8859 6.5208 66.8512 18.5204 55.9664 4.9327 51.5784 14.0081 70.3994 6.4811 3.2128 26.3433 69.5774 116.2619 389.3271 58.9330 33.9565 5.1303 20.1499 1.8520 1.6013 6.7213 7.2936 7.0487 6.7566 2.1876 2.1550 4.0206 1.6510 1.3427 1.6871 15.9087 15.4044 3.9425 6.7939 4.9370 1.5653 76.6261 114.7019 0.3144 2.8033 2.4100 1.0661 3.3760 3.9731 2.6760 1.4480 0.5132 1.8419 2.7985 0.9060 1.4023 1.5243 0.5483 0.9443 2.2678 1.9296 1.0098 0.6276 1.3014 0.9757 2.7068 1.0930 2.1789 1.9986 1.0835 0.6406 1.7496 2.3488 1.2125 1.4655 1.5243 1.8358 1.4804 0.8707 0.4802 0.8624 1.1141 1.3316 0.9160 0.7657 3.1700 1.4432 0.5354 1.7082 7.2773 0.8947 6.4885 4.6777 0.4468 8.8235 0.8688 2.9954 2.3307 2.4093 1.2873 0.5653 1.4383 3.2419 0.6233 3.6573 0.5100 0.6607 1.7375 1.9713 11.3147 1.1357 5.6876 3.2348 7.2176 2.4169 0.6213 1.4545 10.2392 0.6222 9.0539 1.4732 45.6756 19.8565 10.7497 2.4146 0.0491 16.1429 0.4850 7.5699 1.5989 0.1660 1.7834 2.0253 1.9011 0.7283 2.3958 0.2195 7.2633 3.9020 0.9341 5.1571 5.5094 4.5824 17.8367 3.8400 3.2062 1.4429 0.2920 0.5744 2.5769 2.4236 5.5366 5.2611 15.7325 7.6539 23.7301 7.4490 2.9882 11.8247 3.2317 8.2675 4.5594 13.7480 4.8316 49.1755 2.8099 10.1829 10.9493 6.5135 10.4269 3.3449 7.7421 5.8433 23.5917 29.9712 9.1029 23.9366 20.8303 7.1952 6.4775 0.9189 7.7961 17.5894 12.2528 32.4178 94.4233 4.1823 6.7516 93.1151 75.3083 143.7180 18.6909 10.9181 103.4743 105.4993 123.5343 69.8815 42.8982 78.1885 80.4260 152.7148 44.6249 5.9521 158.5773 41.9397 50.6508 24.2247 105.1903 62.2098 67.2873 25.9968 87.7991 291.2492 148.7642 36.6716 42.7148 103.2354 0.7500 0.7499 0.7498 0.7494 0.7209 0.7412 0.7213 0.7327 0.6688 0.7204 0.7436 0.7312 0.7135 0.7097 0.6798 0.6400 0.7449 0.6996 0.6553 0.3851 0.3541 0.5123 0.1706 0.6539 0.7421 0.7429 0.7136 0.7001 0.6447 0.2960 0.6558 0.3754 0.3167 0.6986 0.7381 0.3152 0.4338 0.6714 0.4014 0.3345 0.4666 0.7400 0.2371 0.5717 0.6756 0.5973 0.2903 0.6212 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0.6050 0.8522 0.7876 0.8571 0.8493 0.8291 0.8563 0.5332 0.6239 0.1946 0.2090 0.3940 0.4173 0.4263 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 6 6 7 7 6 6 6 6 6 6 6 6 1 6 8 7 6 6 7 1 6 6 7 6 7 8 6 6 6 6 6 6 6 9 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 14.00307 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11206.9603 37656.1664 44314.6953 0.99998 0.00593 -0.00242 -0.00592 0.99996 0.00698 0.00246 -0.00696 0.99997 1 0.00773 0.00230 0.00195 0.16104 0.04793 0.04073 6.91 9.57 17.47 28.71 36.77 39.13 49.29 72.86 100.21 109.19 116.91 144.62 159.24 164.62 183.92 204.38 212.97 219.05 248.62 264.13 295.66 355.27 370.51 404.69 419.83 433.74 444.16 475.53 504.03 535.84 539.75 553.09 564.48 568.24 633.00 643.27 660.28 668.17 714.64 722.29 768.29 780.43 786.93 811.02 818.34 863.97 897.07 916.12 950.66 967.52 989.17 1012.58 1023.65 1025.26 1046.43 1072.25 1081.50 1108.13 1112.16 1120.25 1127.91 1193.56 1223.20 1254.42 1259.64 1276.33 1293.72 1325.12 1366.37 1370.59 1398.13 1418.42 1457.02 1511.02 1517.93 1535.79 1543.56 1547.61 1569.35 1570.65 1579.11 1581.54 1591.85 1609.65 1627.26 1628.27 1634.32 1637.88 1655.16 1659.31 1678.54 1685.65 1698.77 1700.00 1714.06 1736.93 1742.30 1756.15 1758.75 1784.28 1809.16 1831.48 1863.87 1907.78 1918.11 1927.84 1940.54 1964.16 1977.06 2005.16 2018.66 2032.56 2080.74 2092.15 2103.07 2107.13 2118.54 2136.48 2148.53 2168.81 2203.95 2207.36 2239.79 2256.72 2257.10 2262.71 2274.77 2307.07 2322.63 2331.22 2338.52 2346.61 2351.94 2352.87 2356.47 2360.32 2377.73 2379.83 2383.94 2402.87 2405.05 2436.28 2514.04 2538.29 2581.03 2584.10 2599.39 2629.31 2667.14 2882.33 4558.53 4618.40 4648.12 4670.31 4722.72 4743.81 4746.17 4749.07 4776.19 4781.65 4781.78 4818.60 4844.31 4853.46 4864.28 4871.17 4876.56 4888.51 4891.24 4897.95 4908.04 4926.18 5329.23 5520.59 0.509630 0.539194 0.540139 0.440384 -1734.674639 -1734.645074 -1734.644130 -1734.743885 3.345799D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3Cc4nc(no4)c5cccc(c5)C(F)(F)F C24954478 RHF 6-31G(d) (6D,10F) C1 497.191239 |X|Y|Z| 70.684305 134.701227 37.052333 70.659415 29 6 7 8 22 6 1 |36.858105| |12.683597|36.858105| |7.188566|13.364319|36.858105| |5.150320|8.575084|13.814728|36.858105| |5.370040|9.017211|8.781301|14.242819|53.358707| |7.858301|14.729499|8.538289|8.554425|19.326927|53.358707| |3.970119|5.500922|5.328799|7.641507|18.120157|10.844148|36.858105| |3.322984|4.326882|4.370295|5.980094|10.644215|7.576118|13.768316|36.858105| |2.729064|3.344523|3.336060|4.235350|7.005807|5.622153|7.970006|13.748355|36.858105| |2.578120|3.089732|3.014985|3.710881|6.189684|5.210708|6.906727|7.935392|13.754025|36.858105| |2.851914|3.447333|3.284124|4.024242|7.019817|5.995775|7.973613|6.864904|7.932706|13.737059|36.858105| |3.549202|4.552528|4.253920|5.425441|10.681633|8.559800|13.758529|7.906296|6.862182|7.933526|13.766396|36.858105| |3.696248|5.143147|7.282312|12.708141|10.380252|7.094109|6.239372|5.721241|4.271394|3.669990|3.793768|4.704992|36.858105| |5.753141|7.253625|12.766223|7.422924|7.159531|7.055792|3.821541|3.376796|2.721710|2.478310|2.640704|3.225151|5.864381|36.858105| |4.378349|5.468231|8.947874|7.049830|6.533229|5.968615|3.669221|3.333348|2.712376|2.454752|2.580834|3.097930|6.705822|17.647783|0.500000| |5.369932|5.841402|7.540093|5.310922|5.778105|5.945281|3.268970|3.039259|2.490688|2.241478|2.331033|2.760433|4.474851|12.353670|0.251893|36.858105| |4.683278|5.287831|6.569705|5.259530|5.825632|5.801483|3.374372|3.267948|2.654244|2.331290|2.371135|2.776202|4.597397|8.149540|0.201261|16.021297|73.516695| |4.892222|4.665260|5.287488|3.958164|4.597328|4.889260|2.711861|2.525873|2.134090|1.957009|2.041606|2.375270|3.438144|7.633124|0.171372|14.109531|15.119557|53.358707| |4.661068|4.228693|4.625274|3.510882|4.157892|4.474747|2.485887|2.274312|1.952840|1.828536|1.934773|2.245340|3.070586|6.433202|0.147861|7.645433|9.455645|17.981789|36.858105| |4.323441|4.259203|5.016479|3.831962|4.376135|4.551746|2.604091|2.347387|2.014029|1.899286|2.028940|2.371166|3.426174|7.513031|0.182789|6.708852|8.466090|10.739047|12.586388|36.858105| |5.490336|5.927241|7.684251|5.271466|5.739999|5.958830|3.235546|2.814232|2.355598|2.218453|2.409468|2.907844|4.396942|12.377422|0.251994|7.420089|9.276818|9.232462|7.782507|12.712729|53.358707| |7.059450|6.903653|7.610526|5.083353|5.919900|6.591608|3.304137|2.819742|2.362716|2.247103|2.472252|3.011773|4.013527|9.276567|0.183279|6.547440|8.517173|8.548848|7.423276|9.366760|25.717726|0.500000| |4.317665|4.884445|6.187250|5.025686|5.518188|5.437586|3.229233|2.769189|2.355665|2.262056|2.493237|3.002524|4.502617|7.528975|0.202127|4.906302|6.997994|6.081090|5.004742|7.607184|17.262169|0.263233|36.858105| |3.309586|3.720595|4.728682|4.227091|4.614570|4.364672|2.836004|2.529375|2.190711|2.092168|2.255765|2.632836|4.265814|5.966177|0.191570|4.327501|6.439412|5.427400|4.349929|6.520420|10.410774|0.160125|12.723361|36.858105| |3.007440|3.481134|4.554137|4.361748|4.629365|4.200671|2.897299|2.648176|2.292772|2.159423|2.287595|2.642040|4.853707|5.643959|0.205643|4.228451|6.606488|5.084731|3.797138|5.153664|8.012483|0.127658|7.642795|14.992073|53.358707| |2.506182|2.792235|3.437749|3.321299|3.717211|3.432656|2.409396|2.247263|1.996045|1.895514|1.989146|2.238902|3.682082|4.134361|0.139736|3.428300|5.479996|4.346941|3.312169|4.333734|6.011003|0.100955|5.370736|9.224899|18.729334|36.858105| |2.436758|2.630995|3.127739|2.939104|3.385315|3.213655|2.196504|2.031331|1.818294|1.747198|1.848593|2.075163|3.102729|3.746617|0.118571|3.168376|4.973094|4.198046|3.363714|4.498684|5.889148|0.100863|5.345586|8.869805|11.663389|14.840534|53.358707| |2.850808|3.056568|3.638904|3.286937|3.771710|3.646082|2.388305|2.158914|1.910084|1.843000|1.979467|2.262123|3.310393|4.436096|0.134909|3.573129|5.402401|4.767997|3.995809|5.833805|7.798700|0.130536|7.946145|14.611328|11.996437|9.072524|18.873477|73.516695| |2.171905|2.418227|2.924113|2.925547|3.332208|3.043342|2.221631|2.127787|1.918872|1.813072|1.869225|2.061950|3.366026|3.390743|0.113716|2.966548|4.949805|3.751150|2.767186|3.373716|4.634883|0.080710|3.866992|5.465082|10.311434|12.953643|10.667615|9.586436|36.858105| |2.157661|2.450834|2.993556|3.111522|3.514806|3.133889|2.374607|2.320236|2.092371|1.950443|1.981225|2.172638|3.784455|3.379835|0.115529|2.981156|5.146801|3.654032|2.597231|3.060715|4.344585|0.076442|3.520115|4.596293|8.846303|7.691553|7.075387|7.440916|13.741969|36.858105| |1.886830|2.117085|2.512636|2.632451|3.065016|2.747997|2.120858|2.114340|1.945391|1.814686|1.817617|1.954139|3.165175|2.766232|0.091037|2.533884|4.471886|3.149665|2.226611|2.534825|3.545408|0.063959|2.802603|3.449196|6.005730|5.080723|5.368964|5.790581|7.932176|13.738960|36.858105| |1.705409|1.876664|2.180697|2.243983|2.664148|2.432580|1.849879|1.836757|1.707800|1.610727|1.618613|1.727993|2.599311|2.404060|0.077029|2.236965|3.915022|2.854236|2.052914|2.322254|3.168942|0.057752|2.500842|3.060476|5.049435|4.493192|5.118402|5.394385|6.879442|7.952655|13.802400|36.858105| |1.712421|1.861828|2.153282|2.170860|2.581630|2.389318|1.774479|1.736395|1.609133|1.530447|1.555575|1.670512|2.450593|2.407951|0.076481|2.230704|3.825791|2.899919|2.134088|2.450878|3.276838|0.059534|2.616989|3.281606|5.282565|5.093305|6.092471|6.067994|7.952185|6.880094|7.934948|13.690936|36.858105| |1.904663|2.073769|2.429275|2.412924|2.829602|2.626580|1.912859|1.842974|1.687656|1.607721|1.652780|1.798843|2.701527|2.775282|0.089158|2.513666|4.216752|3.274023|2.449828|2.910659|3.868561|0.069083|3.164703|4.207594|6.891690|7.685763|9.003774|8.035265|13.660471|7.907997|6.856176|7.929939|13.829261|36.858105| |1.527886|1.636665|1.855035|1.858320|2.250439|2.108176|1.558023|1.527059|1.428983|1.368383|1.389917|1.480372|2.054007|2.054288|0.063664|1.934385|3.321778|2.558629|1.900078|2.143653|2.828285|0.052212|2.234817|2.710095|4.143840|3.818700|4.955843|5.128568|5.030159|4.456627|5.055926|7.642497|12.649238|7.588259|36.858105| |1.424924|1.529288|1.718638|1.741850|2.131974|1.991342|1.494367|1.469943|1.389501|1.338032|1.355626|1.430773|1.931436|1.867463|0.057429|1.752389|3.028755|2.305384|1.706771|1.911102|2.560744|0.047768|2.034002|2.416728|3.668188|3.257663|4.222932|4.517095|4.140941|3.885123|4.538528|6.595121|8.158897|5.541652|14.417509|97.533100| |1.522728|1.614689|1.817278|1.797911|2.186346|2.068969|1.505827|1.462349|1.366527|1.316389|1.347328|1.439600|1.952409|2.021370|0.061932|1.899521|3.221063|2.547747|1.927220|2.188440|2.847765|0.052736|2.263910|2.749781|4.070092|3.804080|5.272668|5.399718|4.640230|3.855575|4.014597|5.266067|8.124029|7.026500|14.432135|20.092018|97.533100| |1.464300|1.559247|1.758742|1.754525|2.132371|2.006454|1.476948|1.458766|1.366433|1.301918|1.314333|1.396400|1.928076|1.952828|0.060200|1.878321|3.253837|2.501234|1.842092|2.039196|2.660944|0.049301|2.054004|2.442820|3.706787|3.296212|4.277616|4.571066|4.181350|3.891164|4.500850|6.467572|8.159035|5.629308|14.407099|20.169490|20.103509|97.533100| |17.475995|8.786785|6.200406|4.536843|6.230886|8.332841|3.513301|2.935592|2.468750|2.378890|2.660246|3.272850|3.404486|5.451001|0.116921|4.849596|7.225354|6.396482|4.943585|4.740675|8.212725|0.239711|4.796873|3.527835|4.202451|2.586839|3.498228|5.480502|2.204324|2.149582|1.870341|1.704076|1.731047|1.942662|1.549646|3.246631|3.505931|3.325251|0.500000| |17.625349|8.992446|5.471921|4.431705|6.795797|10.329968|3.926206|3.297570|2.754974|2.635050|2.929742|3.606280|3.288170|4.396269|0.098995|4.223387|6.941307|5.343865|3.754588|3.486078|5.726717|0.142295|3.545811|2.820541|3.539690|2.211116|2.933163|4.407253|1.948612|1.946539|1.725881|1.568283|1.569354|1.727671|1.411277|2.982118|3.162437|3.049891|0.303481|0.500000| |17.549477|8.843724|6.418251|4.604672|6.207588|8.148711|3.485365|3.060051|2.533033|2.357487|2.540067|3.069584|3.463415|5.846018|0.122571|6.323053|9.697366|8.211032|5.411559|4.557540|7.315466|0.182650|4.001082|3.187608|3.986410|2.469985|3.268455|4.937391|2.156172|2.142174|1.881421|1.705134|1.712170|1.899192|1.530804|3.195257|3.430098|3.326762|0.299995|0.301888|0.500000| |3.355001|4.361724|4.563965|6.166186|9.770680|7.185893|8.920101|17.728401|8.894168|5.640666|4.949115|5.635759|6.068654|3.592680|0.099302|3.331043|6.614482|3.695954|2.384822|2.432571|3.932754|0.079434|2.772173|2.560859|3.694593|2.300780|2.808270|3.873713|2.193258|2.415555|2.205065|1.903063|1.788112|1.892717|1.566874|3.375207|3.360828|3.389588|0.081178|0.091020|0.088329|0.500000| |2.448773|2.928035|2.953738|3.637260|5.678981|4.729491|5.663393|8.932275|17.731759|8.910945|5.642536|4.947542|3.779066|2.488895|0.069520|2.330372|4.472519|2.737217|1.831031|1.874782|2.931328|0.059608|2.139321|2.021458|2.902004|1.881261|2.329904|3.161970|1.833848|2.014110|1.900434|1.671924|1.564074|1.624096|1.394147|3.058312|2.985814|3.016879|0.061695|0.068550|0.064351|0.214790|0.500000| |2.260619|2.634992|2.577723|3.077424|4.926157|4.303854|4.970434|5.646645|8.921496|17.729456|8.915592|5.646605|3.093062|2.177416|0.060184|1.994138|3.684436|2.401624|1.657698|1.717212|2.687586|0.055461|2.017986|1.888512|2.654312|1.738096|2.191284|2.995717|1.677947|1.803127|1.698196|1.519413|1.441963|1.503247|1.298560|2.873491|2.809235|2.785142|0.058519|0.064377|0.058010|0.124063|0.214900|0.500000| |2.610051|3.051483|2.889805|3.404882|5.690625|5.132362|5.664233|4.948907|5.643814|8.908022|17.731308|8.937553|3.226899|2.380962|0.064602|2.109276|3.774330|2.556367|1.804508|1.896114|3.032274|0.063783|2.330335|2.114616|2.892475|1.871399|2.392288|3.344653|1.759094|1.846981|1.702563|1.531296|1.479902|1.570320|1.331771|2.935473|2.917133|2.828287|0.068929|0.074974|0.064592|0.107479|0.124080|0.214883|0.500000| |3.804778|4.801976|4.345658|5.217917|9.844389|8.877685|8.932048|5.640190|4.948191|5.636528|8.888340|17.738814|4.355842|3.294863|0.086560|2.768123|4.822819|3.285427|2.328628|2.482967|4.194272|0.090320|3.239797|2.766593|3.686608|2.289248|2.926864|4.235609|2.074274|2.147899|1.916295|1.706995|1.669193|1.813483|1.482919|3.218953|3.270295|3.134338|0.100143|0.107648|0.088858|0.124235|0.107463|0.123983|0.214451|0.500000| |3.397264|4.537063|6.052712|8.918216|8.645217|6.270434|5.589285|5.848753|4.371234|3.575864|3.512349|4.153506|17.570128|5.220176|0.166094|4.423101|8.678106|4.596373|2.924714|3.154883|5.236631|0.097915|3.761548|3.666228|5.736971|3.355344|3.851050|5.237492|3.189726|3.684961|3.179735|2.594426|2.402131|2.594663|2.019449|4.272856|4.276045|4.322217|0.085494|0.085130|0.091299|0.192377|0.111896|0.084695|0.082779|0.103983|0.500000| |3.290157|4.428668|5.578391|8.908036|9.638152|6.517592|6.884818|6.281921|4.852667|4.244721|4.408620|5.405049|17.614685|4.528643|0.138498|3.592380|6.511130|3.946047|2.660995|2.963368|5.055989|0.096637|3.977979|3.802552|5.813025|3.377227|3.922755|5.409955|3.147085|3.547489|3.038446|2.512336|2.356893|2.567772|1.989575|4.271336|4.249433|4.175500|0.085438|0.083746|0.084333|0.169076|0.116182|0.098045|0.102768|0.134893|0.301758|0.500000| |3.487892|4.620581|6.741314|8.913573|7.767755|5.974566|4.714833|4.324227|3.463899|3.089424|3.220811|3.879557|17.606718|6.381063|0.230314|4.629762|8.091832|4.893525|3.269597|3.813795|6.668018|0.117880|5.263659|5.341599|8.981723|4.646020|5.081966|7.021913|4.148817|4.706159|3.712671|2.979031|2.820803|3.182818|2.309780|4.832667|4.930498|4.827315|0.092119|0.084808|0.091995|0.125953|0.087232|0.074391|0.078716|0.104128|0.301771|0.301725|0.500000| |4.272707|4.007658|4.351353|3.447545|4.122059|4.381069|2.495878|2.371383|2.025363|1.851250|1.910472|2.191273|3.058123|5.637894|0.135558|9.595992|13.957836|25.960087|9.002758|5.760023|6.811078|0.132935|3.621394|3.333527|4.351409|2.818897|3.709426|5.347330|2.506107|2.464620|2.169789|1.982136|2.003562|2.225655|1.786547|3.629781|3.992087|3.973975|0.111975|0.099707|0.148643|0.071343|0.053577|0.046669|0.048909|0.061322|0.085497|0.072662|0.087480|0.500000| |5.355009|4.424837|4.469496|3.381500|4.153409|4.641775|2.484331|2.246304|1.935341|1.828571|1.952089|2.271907|2.878893|5.583651|0.125110|6.232829|8.227383|12.319138|17.521840|8.859888|9.436924|0.216563|4.673629|3.861564|4.536780|2.917499|4.073337|6.371849|2.457863|2.318845|2.009857|1.862002|1.931956|2.198409|1.737384|3.549165|3.977443|3.781250|0.166271|0.118982|0.175672|0.064718|0.050164|0.046054|0.050830|0.066183|0.075606|0.070421|0.083287|0.199394|0.500000| |3.734895|3.415762|3.692620|2.959982|3.556651|3.776599|2.186350|2.030376|1.769656|1.661848|1.745485|1.993646|2.676942|4.864087|0.120794|5.783002|7.937464|12.544788|17.615611|8.986557|7.670086|0.148062|4.135360|3.844420|4.658342|3.129558|4.406414|6.615781|2.665634|2.476767|2.153147|2.016637|2.115073|2.415965|1.906617|3.830884|4.381647|4.197976|0.109368|0.087516|0.118720|0.059158|0.046500|0.042214|0.045496|0.057168|0.071811|0.065395|0.079392|0.224724|0.302942|0.500000| |3.891741|3.734725|4.178228|3.333658|3.931566|4.117443|2.391741|2.147120|1.869898|1.788406|1.923528|2.229787|3.012549|5.517386|0.139260|4.898486|6.689276|7.707969|8.816636|17.626679|12.326070|0.221316|7.218476|6.228068|6.364806|4.146313|6.272351|11.182305|3.206323|2.841031|2.376953|2.217958|2.379845|2.840995|2.112520|4.248322|4.936369|4.492199|0.123511|0.089694|0.110739|0.060973|0.048336|0.045198|0.050515|0.065615|0.076611|0.074499|0.092575|0.126176|0.214951|0.211400|0.500000| |3.633345|3.739694|4.570723|3.681635|4.125071|4.141008|2.498005|2.293020|1.976691|1.852387|1.956378|2.261666|3.475098|6.948706|0.196083|6.389400|8.458394|9.642998|8.854216|17.638385|12.364957|0.181935|6.808232|7.196395|8.222709|5.205882|7.223067|11.583851|3.979841|3.537661|2.876138|2.626778|2.793965|3.380582|2.405617|4.744896|5.507352|5.154150|0.106426|0.083726|0.106305|0.066568|0.051514|0.046694|0.050692|0.064926|0.090161|0.083003|0.110810|0.151877|0.173506|0.216261|0.300118|0.500000| |4.525249|5.569749|7.264927|6.266108|6.737193|6.394685|3.849315|3.185341|2.670374|2.574775|2.889434|3.581676|5.434780|7.309664|0.196805|4.624014|6.897038|5.441906|4.197566|5.595539|12.390362|0.222554|17.672497|8.941518|9.395708|4.785322|6.139967|10.579952|3.640165|3.462802|2.777378|2.441734|2.501792|2.961661|2.132314|4.430896|4.799283|4.404054|0.135756|0.104374|0.111636|0.087030|0.066247|0.062958|0.074380|0.108891|0.118803|0.135003|0.173848|0.092081|0.111980|0.097243|0.144963|0.142922|0.500000| |4.080272|4.309317|4.911202|4.094190|4.809778|4.906921|2.901009|2.488278|2.157597|2.106513|2.340212|2.782950|3.659143|5.565927|0.144804|4.090282|5.942897|5.385658|4.684348|6.842622|12.357643|0.236596|17.639133|9.004972|7.834171|4.618025|6.789545|13.642570|3.418297|3.060338|2.504043|2.289360|2.428720|2.920144|2.119594|4.364143|4.909013|4.378296|0.132481|0.095148|0.104080|0.068425|0.054534|0.052663|0.061769|0.084872|0.086956|0.093226|0.114054|0.091217|0.127831|0.110490|0.212296|0.161851|0.299759|0.500000| |2.375323|2.767629|3.479295|3.715709|4.072708|3.546305|2.728519|2.667409|2.366273|2.179135|2.210634|2.451627|4.783803|3.892618|0.138091|3.340017|5.820942|3.953093|2.752507|3.245012|4.792084|0.083677|3.871446|4.937055|10.017280|7.096163|6.537927|7.428813|8.918579|17.751219|8.921067|5.657591|4.958330|5.633014|3.562297|7.207437|7.157387|7.216646|0.065059|0.059196|0.065194|0.077655|0.062909|0.055369|0.056576|0.066793|0.128973|0.122021|0.174666|0.073378|0.068260|0.071493|0.081971|0.103093|0.108855|0.090713|0.500000| 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